1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine

C24H38N2 — CID 23142749

IUPAC1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine
SMILESCC(C)(C)C1CCC(c2ccccc2N2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C24H38N2/c1-24(2,3)21-12-10-20(11-13-21)22-6-4-5-7-23(22)26-16-14-25(15-17-26)18-19-8-9-19/h4-7,19-21H,8-18H2,1-3H3
InChIKeyLPEIMHLQPPQDBZ-UHFFFAOYSA-N
MW354.58 g/mol
LogP5.54
Rot. Bonds4

About 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine

1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine (PubChem CID 23142749) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine
PubChem CID23142749
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine
SMILESCC(C)(C)C1CCC(c2ccccc2N2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C24H38N2/c1-24(2,3)21-12-10-20(11-13-21)22-6-4-5-7-23(22)26-16-14-25(15-17-26)18-19-8-9-19/h4-7,19-21H,8-18H2,1-3H3
InChIKeyLPEIMHLQPPQDBZ-UHFFFAOYSA-N
XLogP5.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride
CID 23141796
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride
CID 23143135
4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid
CID 174516681
ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 59769450
1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine
CID 69218882
3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide
CID 23142984
1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
CID 23142968
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-[2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]cyclohexyl]propan-1-one
CID 150075303
1-(2-cyclopentylphenyl)-4-propylpiperazine
CID 23142751
1-(2-cyclopropylphenyl)pyrrolidine
CID 155600422
4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]pentanamide;hydrochloride
CID 174502572

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine?
The IUPAC name of 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine (CID 23142749) is 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine.
What is the SMILES notation for 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine?
The canonical SMILES for 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine is CC(C)(C)C1CCC(c2ccccc2N2CCN(CC3CC3)CC2)CC1.
What is the InChIKey of 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine?
The InChIKey is LPEIMHLQPPQDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2/c1-24(2,3)21-12-10-20(11-13-21)22-6-4-5-7-23(22)26-16-14-25(15-17-26)18-19-8-9-19/h4-7,19-21H,8-18H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine?
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine has a molecular weight of 354.58 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine is sourced from PubChem (CID 23142749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).